SCHEMBL8152711

SCHEMBL8152711

C=C(C)C(=O)OCCC(=Cc1ccc(OC(F)(F)F)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALOX5 P09917 2/20 0.37
▸ KMT2A Q03164 5/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HSP90AA1 P07900 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GRIK1 P39086 1/20 0.35
▸ GRIK2 Q13002 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ PPARG P37231 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8156192 0.93 POLB (0.44) POLBAPEX1HTTTDP1ALOX5
SCHEMBL8152937 0.86 PSEN1 (0.39) POLBAPEX1HTTTDP1ALOX5
SCHEMBL8157085 0.85 TDP1 (0.43) POLBAPEX1HTTTDP1ALOX5
SCHEMBL8381808 0.85 TDP1 (0.43) POLBAPEX1HTTTDP1ALOX5
SCHEMBL8157079 0.84 MEN1 (0.46) POLBAPEX1HTTTDP1ALOX5
SCHEMBL8150938 0.83 HTT (0.47) POLBAPEX1HTTTDP1ALOX5
SCHEMBL8144639 0.83 TBXAS1 (0.40) POLBAPEX1HTTTDP1ALOX5
SCHEMBL8157309 0.83 CA1 (0.40) POLBAPEX1HTTTDP1ALOX5
SCHEMBL8152330 0.82 CYP3A4 (0.46) POLBAPEX1HTTTDP1ALOX5
SCHEMBL9340619 0.82 CYP3A4 (0.46) POLBAPEX1HTTTDP1ALOX5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36625-E Linear and cyclic polymers or oligomers having a photoreactive ethene group ROLIC AG (CH) 2000-03-21 — — US disclosed
US-5539074-A LIQUID CRYSTAL POLYMERS ON SILICA FOR LIGHT SENSITIVE ELEMENTS HOFFMANN-LA ROCHE INC. (US) 1996-07-23 — — US disclosed
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